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4-[(2'-Methylene-3',5'-dihydroxycyclohexylidene)ethylidene]-1-[1",5"-dimethyl-5"-hydroxy-4"-((benzoylamino)hexyl]-7a-methyl-(perhydro)indane
SpectraBase Compound ID E19u5DQxPSA
InChI InChI=1S/C34H49NO4/c1-22(13-18-31(33(3,4)39)35-32(38)25-10-7-6-8-11-25)28-16-17-29-24(12-9-19-34(28,29)5)14-15-26-20-27(36)21-30(37)23(26)2/h6-8,10-11,14-15,22,27-31,36-37,39H,2,9,12-13,16-21H2,1,3-5H3,(H,35,38)/b24-14+,26-15-
InChIKey ASPWUVNESJVJSZ-NQVFUGGRSA-N
Mol Weight 535.8 g/mol
Molecular Formula C34H49NO4
Exact Mass 535.366159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCLFoqmM15D
Name 4-[(2'-Methylene-3',5'-dihydroxycyclohexylidene)ethylidene]-1-[1",5"-dimethyl-5"-hydroxy-4"-((benzoylamino)hexyl]-7a-methyl-(perhydro)indane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H49NO4
InChI InChI=1S/C34H49NO4/c1-22(13-18-31(33(3,4)39)35-32(38)25-10-7-6-8-11-25)28-16-17-29-24(12-9-19-34(28,29)5)14-15-26-20-27(36)21-30(37)23(26)2/h6-8,10-11,14-15,22,27-31,36-37,39H,2,9,12-13,16-21H2,1,3-5H3,(H,35,38)/b24-14+,26-15-
InChIKey ASPWUVNESJVJSZ-NQVFUGGRSA-N
Molecular Weight 535.769 g/mol
SMILES OC1C(\C(=C/C=C/2C3C(C(C(CCC(C(O)(C)C)NC(=O)c4ccccc4)C)CC3)(CCC2)C)CC(C1)O)=C
SPLASH splash10-0a4i-0900010000-649d9eb25ecd7479fc71
Source of Spectrum D1-2002-722-16
Wiley ID 1548042